SCHEMBL11860723

SCHEMBL11860723

COc1cc(C(=O)O)nn1-c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.61
▸ RPA1 P27694 5/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ PPP1CA P62136 2/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ ATM Q13315 1/20 0.54
▸ MARS1 P56192 1/20 0.53
▸ MALT1 Q9UDY8 4/20 0.48
▸ CASR P41180 1/20 0.47
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11866066 0.87 SMN1; SMN2 (0.56) POLBRPA1SMN1; SMN2PPP1CAMEN1
SCHEMBL2320824 0.86 ALDH1A1 (0.59) POLBRPA1PPP1CAL3MBTL1KMT2A
SCHEMBL11860205 0.85 MALT1 (0.66) POLBRPA1SMN1; SMN2PPP1CAMEN1
SCHEMBL2865749 0.80 SMN1; SMN2 (0.66) RPA1SMN1; SMN2PPP1CAL3MBTL1MEN1
SCHEMBL2318841 0.78 RPA1 (0.68) RPA1SMN1; SMN2PPP1CAL3MBTL1MEN1
SCHEMBL2320255 0.77 MARS1 (0.49) RPA1PPP1CAL3MBTL1MEN1KMT2A
SCHEMBL2322024 0.76 THRB (0.50) POLBRPA1PPP1CAMEN1KMT2A
SCHEMBL4488017 0.76 RPA1 (1.00) RPA1SMN1; SMN2PPP1CAL3MBTL1MEN1
SCHEMBL15682943 0.76 MAPT (0.50) POLBRPA1MEN1KMT2A
SCHEMBL4509457 0.75 RPA1 (0.59) RPA1SMN1; SMN2PPP1CAL3MBTL1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3953467-A ANALYGESICS, ANTIINFLAMMATORY AGENTS MARUKO SEIYAKU CO., LTD. (JA) 1976-04-27 — — US disclosed
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